Glycoside
...
GD002637

Name:
Gr 135402

Formula:
C34H48O9

Smiles:
CC=CC=C(C)C(=O)O[C@@H]1[C@H](O)[C@H](OCC23C[C@@H]4[C@H](C)CC[C@H]4C4(C=O)CC2C=C(C(C)C)C34C(=O)O)O[C@H](C)[C@H]1OC

Aglycone:
CC(C)C1=CC2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)O.CC=CC=C(C)C(=O)O

Sugarmoiety:
COC1C(C)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 5
HBD: 2 FractionCSP3: 0.74
AlogP: 4.48 Num_rotatable_bonds: 10
MolWt: 600.75 Num_heavy_atoms: 43
TPSA: 128.59 NumAromaticRings: 0

Unique Aglycone
AD00440
Formula: C20H28O4

Smiles:
CC(C)C1=CC2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)O
HBA: 4 RingCount: 4
HBD: 2 FractionCSP3: 0.8
AlogP: 2.9 Num_rotatable_bonds: 4
MolWt: 332.44 Num_heavy_atoms: 24
TPSA: 74.6 NumAromaticRings: 0
AD02488
Formula: C7H10O2

Smiles:
CC=CC=C(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.29
AlogP: 1.59 Num_rotatable_bonds: 2
MolWt: 126.15 Num_heavy_atoms: 9
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD00158

COC1C(C)OC(O)C(O)C1O